2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile
TL;DR: 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile (CAS 17512-88-8) is a chemical compound with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[cyano(phenyl)methylidene]amino] 4-methylbenzenesulfonate
Also Known As: alpha-Tosyloxyiminobenzyl cyanide, 2-(4-methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile, [[cyano(phenyl)methylidene]amino] 4-methylbenzenesulfonate, [(E)-[cyano(phenyl)methylidene]amino] 4-methylbenzenesulfona, {[(4-Methylbenzene-1-sulfonyl)oxy]imino}(phenyl)acetonitrile
| Molecular Formula | C15H12N2O3S |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.05685 |
| Heavy Atoms | 21 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 17512-88-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C2=CC=CC=C2 |
| InChIKey | LMBCUZJGJVCPSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile (CAS 17512-88-8), with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol. IUPAC: [[cyano(phenyl)methylidene]amino] 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile
Property Insights of 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile
The XLogP value of 3.6 indicates that 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile?
The CAS number of 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile is 17512-88-8.
What is the molecular formula of 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile?
The molecular formula of 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile is C15H12N2O3S.
What is the molecular weight of 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile?
The molecular weight of 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile is 300.06 g/mol.
Where can I buy 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile?
You can request a quote for 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.